(1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol

C10H20O4 — CID 11542987

IUPAC(1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
SMILESCC(C)[C@H]1C[C@H](O)[C@@](C)(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7+,8-,9+,10-/m1/s1
InChIKeyYFASMKQYOXGOCQ-MQIGXGKASA-N
MW204.27 g/mol
LogP-0.50
Rot. Bonds1

About (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol

(1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol (PubChem CID 11542987) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
PubChem CID11542987
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
SMILESCC(C)[C@H]1C[C@H](O)[C@@](C)(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7+,8-,9+,10-/m1/s1
InChIKeyYFASMKQYOXGOCQ-MQIGXGKASA-N
XLogP-0.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol (CID 11542987) is (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol is CC(C)[C@H]1C[C@H](O)[C@@](C)(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
The InChIKey is YFASMKQYOXGOCQ-MQIGXGKASA-N. The full InChI is InChI=1S/C10H20O4/c1-5(2)6-4-7(11)10(3,14)9(13)8(6)12/h5-9,11-14H,4H2,1-3H3/t6-,7+,8-,9+,10-/m1/s1.
What are the key properties of (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol?
(1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol has a molecular weight of 204.27 g/mol, XLogP of -0.50, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 11542987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).